MMs01004648 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3026 -0.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9006 -0.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4987 -0.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5057 -2.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7871 1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4845 2.2807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4788 3.4806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1890 1.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8864 2.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0825 2.2929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3851 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6806 2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9832 1.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 0.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6948 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0967 -0.7070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2786 2.3175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5812 1.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2715 3.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5951 1.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5951 -1.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5356 -1.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0782 -1.6595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8224 0.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 0.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1336 -1.6545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6763 -1.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6749 3.5052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0323 -0.5337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7004 -1.8948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9861 0.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6233 0.9785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1763 2.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4715 3.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2659 5.0174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0716 3.8118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END